2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine

C16H20BrN3 — CID 63486623

IUPAC2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Br)cc2)nc(C)c1CC
InChIInChI=1S/C16H20BrN3/c1-4-10-18-16-14(5-2)11(3)19-15(20-16)12-6-8-13(17)9-7-12/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeySSYBVPKOUGPQNF-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.60
Rot. Bonds5

About 2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine

2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 63486623) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
PubChem CID63486623
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Br)cc2)nc(C)c1CC
InChIInChI=1S/C16H20BrN3/c1-4-10-18-16-14(5-2)11(3)19-15(20-16)12-6-8-13(17)9-7-12/h6-9H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeySSYBVPKOUGPQNF-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine (CID 63486623) is 2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(Br)cc2)nc(C)c1CC.
What is the InChIKey of 2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is SSYBVPKOUGPQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-4-10-18-16-14(5-2)11(3)19-15(20-16)12-6-8-13(17)9-7-12/h6-9H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine?
2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63486623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).